CID 21149603

84255-12-9

Structural Information

Molecular Formula
C21H19N3O2
SMILES
CCN(CCOC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)C=C(C#N)C#N
InChI
InChI=1S/C21H19N3O2/c1-2-24(12-13-26-21(25)19-6-4-3-5-7-19)20-10-8-17(9-11-20)14-18(15-22)16-23/h3-11,14H,2,12-13H2,1H3
InChIKey
PMUMOWURAMVFIJ-UHFFFAOYSA-N
Compound name
2-[4-(2,2-dicyanoethenyl)-N-ethylanilino]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.14774 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.155016 193.4
[M+Na]+ 368.136958 200.8
[M-H]- 344.140464 197.4
[M+NH4]+ 363.181563 201.3
[M+K]+ 384.110898 194.7
[M+H-H2O]+ 328.145000 175.7
[M+HCOO]- 390.145941 204.5
[M+CH3COO]- 404.161591 237.3
[M+Na-2H]- 366.122406 191.2
[M]+ 345.14719142 185.9
[M]- 345.14828858 185.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.